input word = C00009656

Metabolite InformationStructural formula
Name Neorautenanol
Formula C21H18O6
Mw 366.11033831
CAS RN 76175-39-8
C_ID C00009656 ,
InChIKey NMOUYFFKLRGDSS-UHFFFAOYNA-N
InChICode InChI=1S/C21H18O6/c1-21(2)4-3-10-14(27-21)7-17-18(19(10)22)20-12(8-23-17)11-5-15-16(25-9-24-15)6-13(11)26-20/h3-7,12,20,22H,8-9H2,1-2H3/t12-,20+/m0/s1
SMILES CC1(C)C=Cc2c(cc3c(c2O)C2Oc4cc5c(cc4C2CO3)OCO5)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeNeorautanenia amboensis Ref.
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